4-benzyl-3-(2-phenylethyl)-1,2,4-triazole

C17H17N3 — CID 141167274

IUPAC4-benzyl-3-(2-phenylethyl)-1,2,4-triazole
SMILESc1ccc(CCc2nncn2Cc2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)11-12-17-19-18-14-20(17)13-16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyGMFKWKQEHVRHDP-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.11
Rot. Bonds5

About 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole

4-benzyl-3-(2-phenylethyl)-1,2,4-triazole (PubChem CID 141167274) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-benzyl-3-(2-phenylethyl)-1,2,4-triazole
PubChem CID141167274
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-benzyl-3-(2-phenylethyl)-1,2,4-triazole
SMILESc1ccc(CCc2nncn2Cc2ccccc2)cc1
InChIInChI=1S/C17H17N3/c1-3-7-15(8-4-1)11-12-17-19-18-14-20(17)13-16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyGMFKWKQEHVRHDP-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole
CID 141167255
3,4-bis(2-phenylethyl)-1,2,4-triazole
CID 141167257
4-benzyl-3-chloro-1,2,4-triazole
CID 63384679
4-benzyl-3-(2-pyrrolidin-2-ylethyl)-1,2,4-triazole
CID 172908827
3-benzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazole
CID 141167246
3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 141222619
4-benzyl-3-isocyanato-1,2,4-triazole
CID 83383120
[4-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 82468722
4-(2-phenylethyl)-3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]disulfanyl]-1,2,4-triazole
CID 20726524
[2-[2-(4-benzyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 155881584
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole?
The IUPAC name of 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole (CID 141167274) is 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole.
What is the SMILES notation for 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole?
The canonical SMILES for 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole is c1ccc(CCc2nncn2Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole?
The InChIKey is GMFKWKQEHVRHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-7-15(8-4-1)11-12-17-19-18-14-20(17)13-16-9-5-2-6-10-16/h1-10,14H,11-13H2.
What are the key properties of 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole?
4-benzyl-3-(2-phenylethyl)-1,2,4-triazole has a molecular weight of 263.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-(2-phenylethyl)-1,2,4-triazole is sourced from PubChem (CID 141167274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).